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Alcaparrosaite |
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Kampf A R, Mills S J, Housley R M, Williams P A, Dini M |
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Mineralogical Magazine 76 (2012) 851-861 |
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Alcaparrosaite, K3Ti4+Fe3+(SO4)4O(H2O)2, a new hydrophobic Ti4+ sulfate |
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from Alcaparrosa, Chile |
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Locality: Alcaparrosa, Chile |
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_database_code_amcsd 0019768 |
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7.55943 16.7923 12.1783 90 94.076 90 C2/c |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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K1 0 .47481 .75 .01896 .0162 .0150 .0251 0 -.0021 0 |
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K2 .25 .75 .5 .01914 .0176 .0207 .0189 .0017 -.0002 .0020 |
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K3 .5 .39010 .75 .0372 .0267 .0212 .0646 0 .0101 0 |
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Ti4+M .61968 .610717 .63562 .5 .01168 .01078 .01044 .01344 .00056 -.00181 -.00212 |
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Fe3+M .61968 .610717 .63562 .5 .01168 .01078 .01044 .01344 .00056 -.00181 -.00212 |
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S1 .26049 .53961 .50891 .01092 .0094 .0116 .0117 -.00037 .00044 -.00246 |
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S2 0 .68381 .75 .01056 .0080 .0108 .0127 0 -.0011 0 |
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S3 .5 .77535 .75 .01101 .0115 .0083 .0131 0 .0002 0 |
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O1 .10172 .58733 .49537 .0216 .0131 .0225 .0290 .0047 .0005 -.0054 |
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O2 .2635 .48252 .59862 .0187 .0231 .0185 .0145 -.0043 .0021 .0012 |
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O3 .41890 .59460 .52202 .0147 .0134 .0154 .0149 -.0038 -.0022 -.0004 |
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O4 .71700 .50419 .59826 .0146 .0180 .0131 .0123 .0020 -.0011 -.0033 |
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O5 .00753 .73230 .65145 .0187 .0182 .0197 .0181 -.0028 -.0001 .0062 |
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O6 .84151 .62944 .73680 .0157 .0122 .0164 .0181 -.0042 -.0031 .0022 |
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O7 .65673 .82283 .77721 .0195 .0162 .0162 .0257 -.0052 -.0007 -.0015 |
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O8 .53144 .72169 .65363 .0166 .0234 .0119 .0144 .0024 .0014 -.0009 |
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O9 .5 .57331 .75 .0131 .0132 .0131 .0130 0 .0009 0 |
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OW .75575 .66205 .50808 .0166 .0173 .0167 .0160 -.0021 .0033 .0001 |
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H1 .794 .630 .459 .12 |
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H2 .825 .6985 .533 .070 |
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
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